CID 4850

Piribedil

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₂

SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

InChI

InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2

InChIKey

OQDPVLVUJFGPGQ-UHFFFAOYSA-N

Compound name

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 513
References: 5791
Patents: 298.14297 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.15025	170.1
[M+Na]+	321.13219	184.6
[M+NH4]+	316.17679	177.6
[M+K]+	337.10613	179.7
[M-H]-	297.13569	176.7
[M+Na-2H]-	319.11764	176.8
[M]+	298.14242	174.0
[M]-	298.14352	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe